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	hartrees
Energy at 0K	-835.788286
Energy at 298.15K
HF Energy	-835.260696
Nuclear repulsion energy	140.330470

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3072	3072
2	A	2692	2692
3	A	1433	1433
4	A	1193	1193
5	A	894	894
6	A	631	631
7	A	288	288
8	A	212	212
9	B	3135	3135
10	B	2691	2691
11	B	1239	1239
12	B	993	993
13	B	758	758
14	B	701	701
15	B	229	229

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.794
S2	0.000	1.557	-0.183
S3	0.000	-1.557	-0.183
H4	0.892	-0.053	1.437
H5	-0.892	0.053	1.437
H6	1.113	1.268	-0.899
H7	-1.113	-1.268	-0.899

	C1	S2	S3	H4	H5	H6	H7
C1		1.8378	1.8378	1.1011	1.1011	2.3905	2.3905
S2	1.8378		3.1130	2.4520	2.3834	1.3548	3.1191
S3	1.8378	3.1130		2.3834	2.4520	3.1191	1.3548
H4	1.1011	2.4520	2.3834		1.7878	2.6934	3.3100
H5	1.1011	2.3834	2.4520	1.7878		3.3100	2.6934
H6	2.3905	1.3548	3.1191	2.6934	3.3100		3.3738
H7	2.3905	3.1191	1.3548	3.3100	2.6934	3.3738

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.782	C1	S3	H7	95.782
S2	C1	S3	115.765	S2	C1	H4	110.574
S2	C1	H5	105.632	S3	C1	H4	105.632
S3	C1	H5	110.574	H4	C1	H5	108.548

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: QCISD(T)=FULL/daug-cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for HSCH2SH (Methanedithiol)

using model chemistry: QCISD(T)=FULL/daug-cc-pVDZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)